(2-aminoethyl)({3-[(2-aminoethyl)amino]propyl})amine tetrahydrochloride

• ChemBase ID: 75141
• Molecular Formular: C7H24Cl4N4
• Molecular Mass: 306.10426
• Monoisotopic Mass: 304.07550751
• SMILES: N(CCN)CCCNCCN.Cl.Cl.Cl.Cl
• Canonical SMILES: NCCNCCCNCCN.Cl.Cl.Cl.Cl
• InChI: InChI=1S/C7H20N4.4ClH/c8-2-6-10-4-1-5-11-7-3-9;;;;/h10-11H,1-9H2;4*1H
• InChIKey: KHXNPWZJKALHOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-aminoethyl)({3-[(2-aminoethyl)amino]propyl})amine tetrahydrochloride
• IUPAC Traditional name: 1,4,8,11-tetraazaundecane tetrahydrochloride
• Synonyms: 1,4,8,11-Tetraazaundecane, tetrahydrochloride

Database IDs

• CAS Number: 73082-39-0
• MDL Number: MFCD00154116
• PubChem SID: 162040059
• PubChem CID: 44118706

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): -9.998628
• LogD (pH = 7.4): -6.752603
• Log P: -2.0912898
• Molar Refractivity: 48.1828 cm^3
• Polarizability: 19.74587 Å^3
• Polar Surface Area: 76.1 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true